Information card for entry 2230503

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(2,5-dimethylphenyl)benzenesulfonamide
• Formula: C14 H14 Cl N O2 S
• Calculated formula: C14 H14 Cl N O2 S
• SMILES: Clc1ccc(cc1)S(=O)(=O)Nc1cc(C)ccc1C
• Title of publication: 4-Chloro-<i>N</i>-(2,5-dimethylphenyl)benzenesulfonamide
• Authors of publication: Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1541
• a: 10.624 ± 0.001 Å
• b: 11.165 ± 0.001 Å
• c: 13.845 ± 0.002 Å
• α: 74.643 ± 0.008°
• β: 67.654 ± 0.007°
• γ: 82.195 ± 0.008°
• Cell volume: 1463.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes